Having gained chemical understanding at molecular level, chemistry graduates may choose to apply this knowledge in almost unlimited ways, as it can be used to analyze all matter and therefore our entire environment. 1111-67-7, Name is Cuprous thiocyanate, belongs to copper-catalyst compound, is a common compound. Related Products of 1111-67-7In an article, once mentioned the new application about 1111-67-7.
This communication describes the crystal structures of CuI complexes and their topological analysis with an emphasis on the Laplacian of the electron density to investigate the characteristics of halogen bonding. To gain insight into the halogen bonds (XBs), we survey wavefunction and DFT methods. The different XBs, that is, Cl···Cl?, I···I?, Br···N3?, and I···SCN?, in the crystal packing of these compounds are categorized as a combination of a region of charge depletion and a region of charge concentration in the valence-shell charge concentration or hole?lump interactions. The full quantum potential based lump?hole concept is more useful than the sigma-hole concept, in which the electrostatic portion of the potential is merely considered. Such a view of halogen bonding can rationalize the geometry around the XBs. The noncovalent interaction reduced density gradient (NCI-RDG) approach was applied to the real-space visualization and quantitative investigation of the XBs as well.
But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! Read on for other articles about Electric Literature of 19132-06-0!, Related Products of 1111-67-7
Reference：
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”